[CPMD-list] Hockney

Audrius Alkauskas audrius.alkauskas at unibas.ch
Fri Apr 4 15:08:35 CEST 2003


Hello

A question about structure of CPMD. Would it be difficult to implement by myslef Ewald summation just in  2D and doing Hockney stuff in perpendicular direction (slab calculation). Is it already implemented?

Regards
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Audrius Alkauskas, PhD student
Condensed Matter Theory Group & NCCR for Nanoscale Science
Institute of Physics, University of Basel, Switzerland
http://monet.physik.unibas.ch/~audrius/
Tel.: +41-61-267-3708
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